4-Iodo-2-methylpyridin-3-ol | 1227514-09-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-Iodo-2-methylpyridin-3-ol
• CAS: 1227514-09-1
• 化学式: C₆H₆INO
• 分子量: 235.024
• InChiKey: CDVIKZZMZOPUNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [(1R,2R,3S,4R)-4-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-chloro-5-ethynylpyrimidin-4-yl]amino]-2,3-bis[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopentyl]methyl tert-butyl carbonate 、 4-Iodo-2-methylpyridin-3-ol 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Pyridofuran substituted pyrimidine derivatives as HCV replication (replicase) inhibitors

  摘要：

  Introduction of nitrogen atom into the benzene ring of a previously identified HCV replication (replicase) benzofuran inhibitor 2, resulted in the discovery of the more potent pyridofuran analogue 5. Subsequent introduction of small alkyl and alkoxy ligands into the pyridine ring resulted in further improvements in replicon potency. Replacement of the 4-chloro moiety on the pyrimidine core with a methyl group, and concomitant monoalkylation of the C-2 amino moiety resulted in the identification of several inhibitors with desirable characteristics. Inhibitor 41, from the monosubstituted pyridofuran and inhibitor 50 from the disubstituted series displayed excellent potency, selectivity (GAPDH/MTS CC50) and PK parameters in all species studied, while the selectivity in the thymidine incorporation assay (DNA.CC50) was low. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.06.021

文献信息

• [EN] BIARYL COMPOUNDS HAVING ANTI-INFECTIVE ACTIVITY<br/>[FR] COMPOSES BIARYLE A ACTION ANTI-INFECTIEUSE
  申请人：GENESOFT PHARMACEUTICALS INC

  公开号：WO2004012736A1

  公开（公告）日：2004-02-12

  Aromatic compounds exemplified by exhibit antimicrobial activity.

  芳香化合物具有抗菌活性。
• Biaryl compounds having anti-infective activity
  申请人：Burli W. Roland

  公开号：US20060128747A1

  公开（公告）日：2006-06-15

  Aromatic compounds exemplified by exhibit antimicrobial activity.

  芳香族化合物具有抗菌活性。
• EP1539151A4
  申请人：——

  公开号：EP1539151A4

  公开（公告）日：2006-10-11
• BIARYL COMPOUNDS HAVING ANTI-INFECTIVE ACTIVITY
  申请人：Genesoft Pharmaceuticals, Inc.

  公开号：EP1539151A1

  公开（公告）日：2005-06-15
• US7498349B2
  申请人：——

  公开号：US7498349B2

  公开（公告）日：2009-03-03